2-fluoro-5-methyl-4-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclohex-2-en-1-ol

C12H19FO3 — CID 163598342

IUPAC2-fluoro-5-methyl-4-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclohex-2-en-1-ol
SMILESCC1CC(O)C(F)=CC1CC1(C)OCCO1
InChIInChI=1S/C12H19FO3/c1-8-5-11(14)10(13)6-9(8)7-12(2)15-3-4-16-12/h6,8-9,11,14H,3-5,7H2,1-2H3
InChIKeyGVKPWQBVNGJWRS-UHFFFAOYSA-N
MW230.28 g/mol
LogP2.01
Rot. Bonds2

About 2-fluoro-5-methyl-4-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclohex-2-en-1-ol

2-fluoro-5-methyl-4-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclohex-2-en-1-ol (PubChem CID 163598342) has the molecular formula C12H19FO3 and a molecular weight of 230.28 g/mol. Its IUPAC name is 2-fluoro-5-methyl-4-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name2-fluoro-5-methyl-4-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclohex-2-en-1-ol
PubChem CID163598342
Molecular FormulaC12H19FO3
Molecular Weight230.28 g/mol
Exact Mass230.13
IUPAC Name2-fluoro-5-methyl-4-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclohex-2-en-1-ol
SMILESCC1CC(O)C(F)=CC1CC1(C)OCCO1
InChIInChI=1S/C12H19FO3/c1-8-5-11(14)10(13)6-9(8)7-12(2)15-3-4-16-12/h6,8-9,11,14H,3-5,7H2,1-2H3
InChIKeyGVKPWQBVNGJWRS-UHFFFAOYSA-N
XLogP2.01
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5,5-Trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-2-en-1-ol
CID 70371690
1,4-Dioxaspiro[4.5]dec-7-en-8-yl-(4-fluorocyclohexyl)methanol
CID 117698354
(2Z)-2-[(6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol
CID 11107412
(2Z)-2-[6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol
CID 135042599
3-(2-Methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-ol
CID 10954213
3,5,5-trimethyl-4-[(E)-2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-2-en-1-ol
CID 58005042
spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8-hexahydro-2H-naphthalene]-2'-ol
CID 134582886
1-[2-(1,3-Dioxolan-2-yl)ethyl]-3-methyl-5-propan-2-ylcyclohex-2-en-1-ol
CID 162758393
(E)-5-(1,4-dioxaspiro[4.5]decan-6-yl)pent-2-en-1-ol
CID 10059593
(E)-1-(1,4-dioxaspiro[4.5]decan-7-yl)undec-1-en-3-ol
CID 10686429
(1S)-3-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-ol
CID 11041404
(2Z,4E,8R)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4,8-trimethyl-6-methylidenenona-2,4-dien-1-ol
CID 11833306

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-4-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclohex-2-en-1-ol?
The IUPAC name of 2-fluoro-5-methyl-4-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclohex-2-en-1-ol (CID 163598342) is 2-fluoro-5-methyl-4-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclohex-2-en-1-ol.
What is the SMILES notation for 2-fluoro-5-methyl-4-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclohex-2-en-1-ol?
The canonical SMILES for 2-fluoro-5-methyl-4-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclohex-2-en-1-ol is CC1CC(O)C(F)=CC1CC1(C)OCCO1.
What is the InChIKey of 2-fluoro-5-methyl-4-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclohex-2-en-1-ol?
The InChIKey is GVKPWQBVNGJWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FO3/c1-8-5-11(14)10(13)6-9(8)7-12(2)15-3-4-16-12/h6,8-9,11,14H,3-5,7H2,1-2H3.
What are the key properties of 2-fluoro-5-methyl-4-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclohex-2-en-1-ol?
2-fluoro-5-methyl-4-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclohex-2-en-1-ol has a molecular weight of 230.28 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-4-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclohex-2-en-1-ol is sourced from PubChem (CID 163598342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).